CID 135538130

19178-19-9

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1CCC2=C(C1)C(=O)NC=N2
InChI
InChI=1S/C8H10N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h5H,1-4H2,(H,9,10,11)
InChIKey
VLGSBIJEQBQFCJ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

77
Patents

150.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 128.9
[M+Na]+ 173.068538 137.0
[M-H]- 149.072044 129.1
[M+NH4]+ 168.113143 147.7
[M+K]+ 189.042478 133.6
[M+H-H2O]+ 133.076580 121.9
[M+HCOO]- 195.077521 147.1
[M+CH3COO]- 209.093171 141.4
[M+Na-2H]- 171.053986 137.7
[M]+ 150.07877142 124.6
[M]- 150.07986858 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe